7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine

C15H14ClN3S — CID 82741856

IUPAC7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1cccnc1CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C15H14ClN3S/c1-2-10-5-4-8-17-13(10)9-18-15-19-12-7-3-6-11(16)14(12)20-15/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeySNECMDOJZCVJOU-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.52
Rot. Bonds4

About 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine

7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 82741856) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID82741856
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1cccnc1CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C15H14ClN3S/c1-2-10-5-4-8-17-13(10)9-18-15-19-12-7-3-6-11(16)14(12)20-15/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeySNECMDOJZCVJOU-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 55171385
7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375161
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311080
4-[[(7-chloro-1,3-benzothiazol-2-yl)amino]methyl]benzonitrile
CID 62268603

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (CID 82741856) is 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is CCc1cccnc1CNc1nc2cccc(Cl)c2s1.
What is the InChIKey of 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is SNECMDOJZCVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-2-10-5-4-8-17-13(10)9-18-15-19-12-7-3-6-11(16)14(12)20-15/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 303.82 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82741856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).